3-Fluoro-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
1092348-21-4- Standard SMILES
O=C(O)c1cc2c(cc1F)C(=O)CCC2- InChIKey
RBNZZVKHQPYOGE-UHFFFAOYSA-N- Molecular formula
- C11H9FO3
- Average molar mass
- 208.18 g/mol
Names & identifiers
- Preferred name
- 3-Fluoro-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
- IUPAC
- 3-fluoro-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxylic acid
- English name
- 3-Fluoro-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
- Molecular formula
- C11H9FO3
- Molecular weight
- 208.19
Names & synonyms
1092348-21-43-Fluoro-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid3-FLUORO-5-OXO-6,7,8-TRIHYDRONAPHTHALENE-2-CARBOXYLIC ACIDMFCD115187983-fluoro-5-oxo-7,8-dihydro-6H-naphthalene-2-carboxylic acidSCHEMBL13726505AKOS025395788DS-81577-fluoro-1-oxo-tetralin-6-carboxylic acidDB-136581CS-0186823N10589
Show more names
2-Naphthalenecarboxylic acid, 3-fluoro-5,6,7,8-tetrahydro-5-oxo-
3-Fluoro-5-oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylicacid3-Fluoro-5,6,7,8-tetrahydro-5-oxo-2-naphthalenecarboxylic acid
Database identifiers
- CAS
1092348-21-4
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 394.4 · 394.4±42.0 °C(Predicted)
- Density
- 1.392 · 1.392±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.84 · 2.84±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…